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10253-83-5 | 1,3,4-Thiadiazole-2(3H)-thione, 5-(phenylamino)-
CAS No: 10253-83-5 Catalog No: AG0007NG MDL No:MFCD00125876
Product Description
Catalog Number:
AG0007NG
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-(phenylamino)-
CAS Number:
10253-83-5
Molecular Formula:
C8H7N3S2
Molecular Weight:
209.2913
MDL Number:
MFCD00125876
IUPAC Name:
5-anilino-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C8H7N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
InChI Key:
BOJLJKMUGYYKCZ-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(s1)Nc1ccccc1
EC Number:
233-592-6
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.285g/mol
Monoisotopic Mass:
209.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Protease inhibitors: synthesis of matrix metalloproteinase and bacterial collagenase inhibitors incorporating 5-amino-2-mercapto-1,3,4-thiadiazole zinc binding functions. | Bioorganic & medicinal chemistry letters 20021007 |
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